Synthesis and Structural Analysis of Ba3V2O3S4

A new quaternary barium vanadium oxysulfide, Ba3V2O3S4, was synthesized using the molten salt flux method. This solid-state compound crystallizes in the hexagonal space group P63 (No. 173) with a = 10.1661(6) Å, c = 5.9306(4) Å, V = 530.81(6) Å3, and Z = 2. It consists of face-sharing VS6 octahedral...

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Bibliographic Details
Published in:Chemistry of materials 2001-02, Vol.13 (2), p.304-307
Main Authors: Calvagna, Frank, Zhang, Jianhua, Li, Shoujian, Zheng, Chong
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Exact sciences and technology
Growth from solutions
Halides, chalcogenides and analogous compounds of group vb
Inorganic compounds
Materials science
Methods of crystal growth
physics of crystal growth
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary:A new quaternary barium vanadium oxysulfide, Ba3V2O3S4, was synthesized using the molten salt flux method. This solid-state compound crystallizes in the hexagonal space group P63 (No. 173) with a = 10.1661(6) Å, c = 5.9306(4) Å, V = 530.81(6) Å3, and Z = 2. It consists of face-sharing VS6 octahedral chains and discrete VO3S tetrahedra. The Ba atoms are located in the interstitial sites. Computational analysis indicates that this solid should be metallic as the conduction band in the vanadium d orbital region is partially filled.
ISSN:0897-4756
1520-5002
DOI:10.1021/cm000350k